N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide CAS Name: N-[2-[[2-(methylamino)-2-oxoethyl]thio]-4-oxo-6-(1-oxopropylamino)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[2-[2-(methylamino)-2-oxoethyl]sulfanyl-4-oxo-6-(propanoylamino)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]-6-propionamido-1H-pyrimidin-5-yl]benzamide Formula: C17H19N5O4S MolecularWeight: 389.42886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)NC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCC(=O)NC1=C(C(=O)N=C(N1)SCC(=O)NC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H19N5O4S/c1-3-11(23)19-14-13(20-15(25)10-7-5-4-6-8-10)16(26)22-17(21-14)27-9-12(24)18-2/h4-8H,3,9H2,1-2H3,(H,18,24)(H,20,25)(H2,19,21,22,23,26)